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Name | SCHEMBL2448621 |
---|---|
Molecular formula | C23H19ClF3N5O |
IUPAC name | 5-(4-chlorophenyl)-4-cyclopropyl-2-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-2-yl]methyl]-1,2,4-triazol-3-one |
Molecular weight | 473.884 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | 5-(4-Chlorophenyl)-4-cyclopropyl-2-({5-[3-(trifluoromethyl)benzyl]-1H-imidazol-2-yl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CHEMBL3956553 US9187466, 85 BDBM192462 CULMDJJRTYHRAN-UHFFFAOYSA-N [ Show all ] |
Inchi Key | CULMDJJRTYHRAN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H19ClF3N5O/c24-17-6-4-15(5-7-17)21-30-31(22(33)32(21)19-8-9-19)13-20-28-12-18(29-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,19H,8-9,11,13H2,(H,28,29) |
PubChem CID | 67412584 |
ChEMBL | CHEMBL3956553 |
IUPHAR | N/A |
BindingDB | 192462 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
517578 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
517579 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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